4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C23H17F3N4O2 — CID 46393856

IUPAC4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nc2cccnc21
InChIInChI=1S/C23H17F3N4O2/c1-30-20-18(3-2-12-27-20)29-19(22(30)32)15-6-8-16(9-7-15)21(31)28-13-14-4-10-17(11-5-14)23(24,25)26/h2-12H,13H2,1H3,(H,28,31)
InChIKeyVQEGDHKKNAFSCE-UHFFFAOYSA-N
MW438.41 g/mol
LogP3.94
Rot. Bonds4

About 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 46393856) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID46393856
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nc2cccnc21
InChIInChI=1S/C23H17F3N4O2/c1-30-20-18(3-2-12-27-20)29-19(22(30)32)15-6-8-16(9-7-15)21(31)28-13-14-4-10-17(11-5-14)23(24,25)26/h2-12H,13H2,1H3,(H,28,31)
InChIKeyVQEGDHKKNAFSCE-UHFFFAOYSA-N
XLogP3.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393870
N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393814
4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide
CID 134799263
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393769
N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393860
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393806
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393771
N-[(2,5-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393807

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 46393856) is 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cn1c(=O)c(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nc2cccnc21.
What is the InChIKey of 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is VQEGDHKKNAFSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-30-20-18(3-2-12-27-20)29-19(22(30)32)15-6-8-16(9-7-15)21(31)28-13-14-4-10-17(11-5-14)23(24,25)26/h2-12H,13H2,1H3,(H,28,31).
What are the key properties of 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 438.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).